2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-5-[4-(phenylmethyl)piperazin-1-yl]-1,3-oxazole

Systemtic Name: 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-5-[4-(phenylmethyl)piperazin-1-yl]-1,3-oxazole Openeye Name: 5-(4-benzylpiperazin-1-yl)-2-(m-tolyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-5-[4-(phenylmethyl)-1-piperazinyl]oxazole IUPAC Name: 5-(4-benzylpiperazin-1-yl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Traditional Name: 5-(4-benzylpiperazino)-2-(m-tolyl)-4-tosyl-oxazole Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC(=CC=C3)C)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC(=CC=C3)C)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3S/c1-21-11-13-25(14-12-21)35(32,33)27-28(34-26(29-27)24-10-6-7-22(2)19-24)31-17-15-30(16-18-31)20-23-8-4-3-5-9-23/h3-14,19H,15-18,20H2,1-2H3